(3R,4S)-4-(4-chlorophenyl)-3-fluoro-3-methyl-1-phenylazetidin-2-one

C16H13ClFNO — CID 10891564

IUPAC(3R,4S)-4-(4-chlorophenyl)-3-fluoro-3-methyl-1-phenylazetidin-2-one
SMILESC[C@]1(F)C(=O)N(c2ccccc2)[C@H]1c1ccc(Cl)cc1
InChIInChI=1S/C16H13ClFNO/c1-16(18)14(11-7-9-12(17)10-8-11)19(15(16)20)13-5-3-2-4-6-13/h2-10,14H,1H3/t14-,16+/m0/s1
InChIKeyLWFVFVCJJPGLRE-GOEBONIOSA-N
MW289.74 g/mol
LogP4.16
Rot. Bonds2

About (3R,4S)-4-(4-chlorophenyl)-3-fluoro-3-methyl-1-phenylazetidin-2-one

(3R,4S)-4-(4-chlorophenyl)-3-fluoro-3-methyl-1-phenylazetidin-2-one (PubChem CID 10891564) has the molecular formula C16H13ClFNO and a molecular weight of 289.74 g/mol. Its IUPAC name is (3R,4S)-4-(4-chlorophenyl)-3-fluoro-3-methyl-1-phenylazetidin-2-one.

Molecular Properties

Compound Name(3R,4S)-4-(4-chlorophenyl)-3-fluoro-3-methyl-1-phenylazetidin-2-one
PubChem CID10891564
Molecular FormulaC16H13ClFNO
Molecular Weight289.74 g/mol
Exact Mass289.07
IUPAC Name(3R,4S)-4-(4-chlorophenyl)-3-fluoro-3-methyl-1-phenylazetidin-2-one
SMILESC[C@]1(F)C(=O)N(c2ccccc2)[C@H]1c1ccc(Cl)cc1
InChIInChI=1S/C16H13ClFNO/c1-16(18)14(11-7-9-12(17)10-8-11)19(15(16)20)13-5-3-2-4-6-13/h2-10,14H,1H3/t14-,16+/m0/s1
InChIKeyLWFVFVCJJPGLRE-GOEBONIOSA-N
XLogP4.16
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.74
LogP ≤ 54.16
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

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CID 42884
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CID 49862927
2-(4-chlorophenyl)-N-[[4-(diethylamino)phenyl]methyl]-N-heptylacetamide
CID 71584046
N,2-bis(4-chlorophenyl)-N-[[4-(diethylamino)phenyl]methyl]acetamide
CID 71584275
2-(4-chlorophenyl)-N-[[4-(diethylamino)phenyl]methyl]-N-(4-methylphenyl)acetamide
CID 71584414
1,4-Diphenyl-2-azetidinone
CID 97891
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CID 1474992

Frequently Asked Questions

What is the IUPAC name of (3R,4S)-4-(4-chlorophenyl)-3-fluoro-3-methyl-1-phenylazetidin-2-one?
The IUPAC name of (3R,4S)-4-(4-chlorophenyl)-3-fluoro-3-methyl-1-phenylazetidin-2-one (CID 10891564) is (3R,4S)-4-(4-chlorophenyl)-3-fluoro-3-methyl-1-phenylazetidin-2-one.
What is the SMILES notation for (3R,4S)-4-(4-chlorophenyl)-3-fluoro-3-methyl-1-phenylazetidin-2-one?
The canonical SMILES for (3R,4S)-4-(4-chlorophenyl)-3-fluoro-3-methyl-1-phenylazetidin-2-one is C[C@]1(F)C(=O)N(c2ccccc2)[C@H]1c1ccc(Cl)cc1.
What is the InChIKey of (3R,4S)-4-(4-chlorophenyl)-3-fluoro-3-methyl-1-phenylazetidin-2-one?
The InChIKey is LWFVFVCJJPGLRE-GOEBONIOSA-N. The full InChI is InChI=1S/C16H13ClFNO/c1-16(18)14(11-7-9-12(17)10-8-11)19(15(16)20)13-5-3-2-4-6-13/h2-10,14H,1H3/t14-,16+/m0/s1.
What are the key properties of (3R,4S)-4-(4-chlorophenyl)-3-fluoro-3-methyl-1-phenylazetidin-2-one?
(3R,4S)-4-(4-chlorophenyl)-3-fluoro-3-methyl-1-phenylazetidin-2-one has a molecular weight of 289.74 g/mol, XLogP of 4.16, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (3R,4S)-4-(4-chlorophenyl)-3-fluoro-3-methyl-1-phenylazetidin-2-one is sourced from PubChem (CID 10891564), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).